N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]benzenecarboximidamide
Formula:C20H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]benzenecarboximidamide |
| MolecularFormula | C20H18N4O4 |
| Smiles | N/C(/c(cc1)ccc1Oc(cc1)ccc1Oc(cc1)ccc1/C(/N)=N\O)=N/O |
| InChI | InChI=1S/C20H18N4O4/c21-19(23-25)13-1-5-15(6-2-13)27-17-9-11-18(12-10-17)28-16-7-3-14(4-8-16)20(22)24-26/h1-12,25-26H,(H2,21,23)(H2,22,24) |
| InChIK | MTUBREDESVSWGI-UHFFFAOYSA-N |
| TotalMolweight | 378.387 |
| Molweight | 378.387 |
| MonoisotopicMass | 378.132806 |
| CLogP | 3.8682 |
| CLogS | -7.138 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 288.46 |
| Relative PSA | 0.34584 |
| PolarSurfaceArea | 135.68 |
| Druglikeness | -1.5821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]benzenecarboximidamide | 2 - N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]benzenecarboximidamide
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